KEGG   DRUG: OmoconazoleHelp
Entry
D08296                      Drug                                   

Name
Omoconazole (INN)
Formula
C20H17Cl3N2O2
Exact mass
422.0356
Mol weight
423.7202
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01883  Imidazole antifungal
Remark
ATC code: D01AC13 G01AF16
Chemical structure group: DG00369
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC13 Omoconazole
      D08296  Omoconazole (INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF16 Omoconazole
      D08296  Omoconazole (INN)
BRITE hierarchy
Other DBs
CAS: 74512-12-2
PubChem: 96024983
ChEMBL: CHEMBL2046550
LigandBox: D08296
NIKKAJI: J33.171F
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    22.3453  -16.9503
            2   C2c C    22.3453  -15.5495
            3   C8y C    21.0846  -17.6506
            4   C8x C    23.5359  -17.6506
            5   O2a O    21.0846  -14.7791
            6   C8x C    21.0846  -19.0514
            7   X   Cl   19.8939  -16.9503
            8   C8x C    23.5359  -19.0514
            9   C1b C    19.8939  -15.5495
            10  C8y C    22.3453  -19.7518
            11  X   Cl   22.3453  -21.1526
            12  C1b C    18.7033  -14.8491
            13  O2a O    17.4426  -15.5495
            14  C8y C    16.2519  -14.8491
            15  C8x C    16.2519  -13.4483
            16  C8x C    15.0613  -12.7479
            17  C8y C    13.8706  -13.4483
            18  C8x C    13.8706  -14.8491
            19  C8x C    15.0613  -15.5495
            20  X   Cl   12.6099  -12.7479
            21  C2c C    23.4659  -14.8491
            22  N4y N    23.4659  -13.4483
            23  C1a C    24.6565  -15.5495
            24  C8x C    24.5865  -12.6079
            25  C8x C    24.1662  -11.2771
            26  N5x N    22.7655  -11.2771
            27  C8x C    22.3452  -12.6079
BOND        29
            1     1   4 1
            2     2   5 1
            3     3   6 1
            4     3   7 1
            5    14  15 2
            6    15  16 1
            7    16  17 2
            8    17  18 1
            9    18  19 2
            10   19  14 1
            11    4   8 2
            12   17  20 1
            13    5   9 1
            14    2  21 2
            15    6  10 2
            16   10  11 1
            17    8  10 1
            18    9  12 1
            19   21  22 1
            20   21  23 1
            21   12  13 1
            22    1   2 1
            23   13  14 1
            24    1   3 2
            25   22  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1

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